butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

C16H26N4O4 — CID 46984062

IUPACbutyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
SMILESCCCCOC(=O)N1CCC2(CC1)N=C(N1CCOCC1)NC2=O
InChIInChI=1S/C16H26N4O4/c1-2-3-10-24-15(22)20-6-4-16(5-7-20)13(21)17-14(18-16)19-8-11-23-12-9-19/h2-12H2,1H3,(H,17,18,21)
InChIKeyBLIRFXCEELEDEL-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.58
Rot. Bonds3

About butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate (PubChem CID 46984062) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate.

Molecular Properties

Compound Namebutyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
PubChem CID46984062
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Namebutyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
SMILESCCCCOC(=O)N1CCC2(CC1)N=C(N1CCOCC1)NC2=O
InChIInChI=1S/C16H26N4O4/c1-2-3-10-24-15(22)20-6-4-16(5-7-20)13(21)17-14(18-16)19-8-11-23-12-9-19/h2-12H2,1H3,(H,17,18,21)
InChIKeyBLIRFXCEELEDEL-UHFFFAOYSA-N
XLogP0.58
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 142123243
Butyl 2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 46993209
1-[7-(2-Ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide
CID 78304625
tert-butyl N-[2-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]ethyl]-N-propylcarbamate
CID 109392428
ethyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155789
ethyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111155790
methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254834
methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111254835
tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate
CID 118994691
2-(Dimethylamino)-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 124212846
2-(dimethylamino)-8-(tetrahydro-2H-pyran-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 131903082
2-(Dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 131916961

Frequently Asked Questions

What is the IUPAC name of butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The IUPAC name of butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate (CID 46984062) is butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate.
What is the SMILES notation for butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The canonical SMILES for butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate is CCCCOC(=O)N1CCC2(CC1)N=C(N1CCOCC1)NC2=O.
What is the InChIKey of butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The InChIKey is BLIRFXCEELEDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-2-3-10-24-15(22)20-6-4-16(5-7-20)13(21)17-14(18-16)19-8-11-23-12-9-19/h2-12H2,1H3,(H,17,18,21).
What are the key properties of butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate is sourced from PubChem (CID 46984062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).